{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.993714 0.75 0.223477 ] [ 0.493714 0.25 0.276523 ] [ 0.006286 0.25 0.776523 ] [ 0.506286 0.75 0.723477 ] [ 0.94977 0.75 0.90092 ] [ 0.44977 0.25 0.59908 ] [ 0.05023 0.25 0.09908 ] [ 0.55023 0.75 0.40092 ] [ 0.833494 0.75 0.046975 ] [ 0.333494 0.25 0.453025 ] [ 0.166506 0.25 0.953025 ] [ 0.666506 0.75 0.546975 ] [ 0.207883 0.039717 0.177298 ] [ 0.707883 0.960283 0.322702 ] [ 0.792117 0.539717 0.822702 ] [ 0.292117 0.460283 0.677298 ] [ 0.792117 0.960283 0.822702 ] [ 0.292117 0.039717 0.677298 ] [ 0.207883 0.460283 0.177298 ] [ 0.707883 0.539717 0.322702 ] [ 0.221392 0.75 0.386996 ] [ 0.721392 0.25 0.113004 ] [ 0.778608 0.25 0.613004 ] [ 0.278608 0.75 0.886996 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Lu" "Lu" "Lu" "Lu" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.28250128 "source-unit" "angstrom" } "b" { "source-value" 6.38057601 "source-unit" "angstrom" } "c" { "source-value" 11.32070188 "source-unit" "angstrom" } }